N-[rel-(3R,4S)-1-[(1-ethyl-5-methoxy-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(1-ethyl-5-methoxy-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
N-[rel-(3R,4S)-1-[(1-ethyl-5-methoxy-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0146 |
| Compound Name: | N-[rel-(3R,4S)-1-[(1-ethyl-5-methoxy-1H-indol-3-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C25 H34 N6 O2 |
| Smiles: | CCn1cc(CN2C[C@H]([C@@H](C2)c2nc(C)n[nH]2)NC(C2CCCC2)=O)c2cc(ccc12)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5984 |
| logD: | -1.9934 |
| logSw: | -2.9588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.769 |
| InChI Key: | JDGATEQWDDPPAR-VXKWHMMOSA-N |